# Copyright 2019 DeepMind Technologies Limited. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # ============================================================================== """Linear algebra utilities used in optimisation.""" import functools from typing import Callable, Optional, Union import chex import jax from jax import lax import jax.numpy as jnp from optax import tree_utils as otu from optax._src import base from optax._src import numerics def _normalize_tree(x): # divide by the L2 norm of the tree weights. return otu.tree_scalar_mul(1.0 / otu.tree_l2_norm(x), x) def global_norm(updates: base.PyTree) -> chex.Array: """Compute the global norm across a nested structure of tensors.""" return jnp.sqrt(sum( jnp.sum(numerics.abs_sq(x)) for x in jax.tree_util.tree_leaves(updates))) def _power_iteration_cond_fun(error_tolerance, num_iters, loop_vars): normalized_eigvec, unnormalized_eigvec, eig, iter_num = loop_vars residual = otu.tree_sub( unnormalized_eigvec, otu.tree_scalar_mul(eig, normalized_eigvec) ) residual_norm = otu.tree_l2_norm(residual) converged = jnp.abs(residual_norm / eig) < error_tolerance return ~converged & (iter_num < num_iters) def power_iteration( matrix: Union[chex.Array, Callable[[chex.ArrayTree], chex.ArrayTree]], *, v0: Optional[chex.ArrayTree] = None, num_iters: int = 100, error_tolerance: float = 1e-6, precision: lax.Precision = lax.Precision.HIGHEST, key: Optional[chex.PRNGKey] = None, ) -> tuple[chex.Numeric, chex.ArrayTree]: r"""Power iteration algorithm. This algorithm computes the dominant eigenvalue and its associated eigenvector of a diagonalizable matrix. This matrix can be given as an array or as a callable implementing a matrix-vector product. References: Wikipedia contributors. `Power iteration `_. Args: matrix: a square matrix, either as an array or a callable implementing a matrix-vector product. v0: initial vector approximating the dominiant eigenvector. If ``matrix`` is an array of size (n, n), v0 must be a vector of size (n,). If instead ``matrix`` is a callable, then v0 must be a tree with the same structure as the input of this callable. If this argument is None and ``matrix`` is an array, then a random vector sampled from a uniform distribution in [-1, 1] is used as initial vector. num_iters: Number of power iterations. error_tolerance: Iterative exit condition. The procedure stops when the relative error of the estimate of the dominant eigenvalue is below this threshold. precision: precision XLA related flag, the available options are: a) lax.Precision.DEFAULT (better step time, but not precise); b) lax.Precision.HIGH (increased precision, slower); c) lax.Precision.HIGHEST (best possible precision, slowest). key: random key for the initialization of ``v0`` when not given explicitly. When this argument is None, `jax.random.PRNGKey(0)` is used. Returns: A pair (eigenvalue, eigenvector), where eigenvalue is the dominant eigenvalue of ``matrix`` and eigenvector is its associated eigenvector. .. versionchanged:: 0.2.2 ``matrix`` can be a callable. Reversed the order of the return parameters, from (eigenvector, eigenvalue) to (eigenvalue, eigenvector). """ if callable(matrix): mvp = matrix if v0 is None: # v0 must be given as we don't know the underlying pytree structure. raise ValueError('v0 must be provided when `matrix` is a callable.') else: mvp = lambda v: jnp.matmul(matrix, v, precision=precision) if v0 is None: if key is None: key = jax.random.PRNGKey(0) # v0 is uniformly distributed in [-1, 1] v0 = jax.random.uniform( key, shape=matrix.shape[-1:], dtype=matrix.dtype, minval=-1.0, maxval=1.0, ) v0 = _normalize_tree(v0) cond_fun = functools.partial( _power_iteration_cond_fun, error_tolerance, num_iters, ) def _body_fun(loop_vars): _, z, _, iter_num = loop_vars eigvec = _normalize_tree(z) z = mvp(eigvec) eig = otu.tree_vdot(eigvec, z) return eigvec, z, eig, iter_num + 1 init_vars = (v0, mvp(v0), jnp.asarray(0.0), jnp.asarray(0)) _, unormalized_eigenvector, dominant_eigenvalue, _ = ( jax.lax.while_loop(cond_fun, _body_fun, init_vars) ) normalized_eigenvector = _normalize_tree(unormalized_eigenvector) return dominant_eigenvalue, normalized_eigenvector def matrix_inverse_pth_root(matrix: chex.Array, p: int, num_iters: int = 100, ridge_epsilon: float = 1e-6, error_tolerance: float = 1e-6, precision: lax.Precision = lax.Precision.HIGHEST): """Computes `matrix^(-1/p)`, where `p` is a positive integer. This function uses the Coupled newton iterations algorithm for the computation of a matrix's inverse pth root. References: [Functions of Matrices, Theory and Computation, Nicholas J Higham, Pg 184, Eq 7.18]( https://epubs.siam.org/doi/book/10.1137/1.9780898717778) Args: matrix: the symmetric PSD matrix whose power it to be computed p: exponent, for p a positive integer. num_iters: Maximum number of iterations. ridge_epsilon: Ridge epsilon added to make the matrix positive definite. error_tolerance: Error indicator, useful for early termination. precision: precision XLA related flag, the available options are: a) lax.Precision.DEFAULT (better step time, but not precise); b) lax.Precision.HIGH (increased precision, slower); c) lax.Precision.HIGHEST (best possible precision, slowest). Returns: matrix^(-1/p) """ # We use float32 for the matrix inverse pth root. # Switch to f64 if you have hardware that supports it. matrix_size = matrix.shape[0] alpha = jnp.asarray(-1.0 / p, jnp.float32) identity = jnp.eye(matrix_size, dtype=jnp.float32) max_ev, _ = power_iteration( matrix=matrix, num_iters=100, error_tolerance=1e-6, precision=precision) ridge_epsilon = ridge_epsilon * jnp.maximum(max_ev, 1e-16) def _unrolled_mat_pow_1(mat_m): """Computes mat_m^1.""" return mat_m def _unrolled_mat_pow_2(mat_m): """Computes mat_m^2.""" return jnp.matmul(mat_m, mat_m, precision=precision) def _unrolled_mat_pow_4(mat_m): """Computes mat_m^4.""" mat_pow_2 = _unrolled_mat_pow_2(mat_m) return jnp.matmul( mat_pow_2, mat_pow_2, precision=precision) def _unrolled_mat_pow_8(mat_m): """Computes mat_m^4.""" mat_pow_4 = _unrolled_mat_pow_4(mat_m) return jnp.matmul( mat_pow_4, mat_pow_4, precision=precision) def mat_power(mat_m, p): """Computes mat_m^p, for p == 1, 2, 4 or 8. Args: mat_m: a square matrix p: a positive integer Returns: mat_m^p """ # We unrolled the loop for performance reasons. exponent = jnp.round(jnp.log2(p)) return lax.switch( jnp.asarray(exponent, jnp.int32), [ _unrolled_mat_pow_1, _unrolled_mat_pow_2, _unrolled_mat_pow_4, _unrolled_mat_pow_8, ], (mat_m)) def _iter_condition(state): (i, unused_mat_m, unused_mat_h, unused_old_mat_h, error, run_step) = state error_above_threshold = jnp.logical_and( error > error_tolerance, run_step) return jnp.logical_and(i < num_iters, error_above_threshold) def _iter_body(state): (i, mat_m, mat_h, unused_old_mat_h, error, unused_run_step) = state mat_m_i = (1 - alpha) * identity + alpha * mat_m new_mat_m = jnp.matmul(mat_power(mat_m_i, p), mat_m, precision=precision) new_mat_h = jnp.matmul(mat_h, mat_m_i, precision=precision) new_error = jnp.max(jnp.abs(new_mat_m - identity)) # sometimes error increases after an iteration before decreasing and # converging. 1.2 factor is used to bound the maximal allowed increase. return (i + 1, new_mat_m, new_mat_h, mat_h, new_error, new_error < error * 1.2) if matrix_size == 1: resultant_mat_h = (matrix + ridge_epsilon)**alpha error = 0 else: damped_matrix = matrix + ridge_epsilon * identity z = (1 + p) / (2 * jnp.linalg.norm(damped_matrix)) new_mat_m_0 = damped_matrix * z new_error = jnp.max(jnp.abs(new_mat_m_0 - identity)) new_mat_h_0 = identity * jnp.power(z, 1.0 / p) init_state = tuple( [0, new_mat_m_0, new_mat_h_0, new_mat_h_0, new_error, True]) _, mat_m, mat_h, old_mat_h, error, convergence = lax.while_loop( _iter_condition, _iter_body, init_state) error = jnp.max(jnp.abs(mat_m - identity)) is_converged = jnp.asarray(convergence, old_mat_h.dtype) resultant_mat_h = is_converged * mat_h + (1 - is_converged) * old_mat_h resultant_mat_h = jnp.asarray(resultant_mat_h, matrix.dtype) return resultant_mat_h, error